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CrystalDock: A Novel Approach to Fragment-Based Drug Design
We present a novel algorithm called CrystalDock that analyzes a molecular pocket of interest and identifies potential binding fragments. The program first identifies groups of pocket-lining receptor residues (i.e., microenvironments) and then searches for geometrically similar microenvironments pres...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2011
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3206965/ https://ncbi.nlm.nih.gov/pubmed/21910501 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200357y |
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